HRID1561502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID68023

4-Fluorobenzaldehyde

C7H5FO

HCID688124

Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-

C8H14NOS+

结构：Cc1ccc(S(=O)(=O)C(NC(=O)OC(C)(C)C)c2cccc3cccnc23)cc1

HCID86621950

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C(=O)c1ccc(F)cc1)c1cccc2cccnc12

HCID86621951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f24b4217b7074166a09eb3b9d0063b12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:48].[CH2:49]([n+:50]1[c:51]([CH3:52])[c:53]([CH2:54][CH2:55][OH:56])[s:57][cH:58]1)[CH3:59].[CH2:60]([Cl:61])[Cl:62].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:63][CH2:64][O:65][CH2:66][CH3:67].[Cl-:46].[F:37][c:38]1[cH:39][cH:40][c:41]([CH:42]=[O:43])[cH:44][cH:45]1.[NH4+:47].[n:1]1[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([CH:11]([S:12]([c:13]3[cH:14][cH:15][c:16]([CH3:17])[cH:18][cH:19]3)(=[O:20])=[O:21])[NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[c:10]12>>[n:1]1[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([CH:11]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[C:42]([c:41]3[cH:40][cH:39][c:38]([F:37])[cH:45][cH:44]3)=[O:43])[c:10]12